Chemical Properties of Terephthalic acid, 2-fluorobenzyl isobutyl ester

InChI

InChI=1S/C19H19FO4/c1-13(2)11-23-18(21)14-7-9-15(10-8-14)19(22)24-12-16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3

InChI Key

ADCLOSPNMFLQBY-UHFFFAOYSA-N

Formula

C19H19FO4

SMILES

CC(C)COC(=O)c1ccc(C(=O)OCc2ccccc2F)cc1

Molecular Weight¹

330.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-350.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.36	kJ/mol	Joback Calculated Property
ΔfusH°	37.40	kJ/mol	Joback Calculated Property
ΔvapH°	80.87	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	3.995		Crippen Calculated Property
McVol	247.700	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[2832.00; 2832.00]
Inp	2832.00		NIST
Inp	2832.00		NIST
Tboil	848.85	K	Joback Calculated Property
Tc	1071.40	K	Joback Calculated Property
Tfus	511.68	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[731.23; 794.92]	J/mol×K	[848.85; 1071.40]
Cp,gas	731.23	J/mol×K	848.85	Joback Calculated Property
Cp,gas	744.84	J/mol×K	885.94	Joback Calculated Property
Cp,gas	757.22	J/mol×K	923.03	Joback Calculated Property
Cp,gas	768.38	J/mol×K	960.12	Joback Calculated Property
Cp,gas	778.37	J/mol×K	997.22	Joback Calculated Property
Cp,gas	787.20	J/mol×K	1034.31	Joback Calculated Property
Cp,gas	794.92	J/mol×K	1071.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-fluorobenzyl isobutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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